Details of the Drug

General Information of Drug (ID: DMRM6ES)

Drug Name
Benzylamine
Synonyms
Aminotoluene; BENZYLAMINE; Benzenemethanamine; Monobenzylamine; Moringine; N-Benzylamine; Phenylmethylamine; Sumine 2005; Sumine 2006; TOLUENE,ALPHA-AMINO; benzyl amine; benzyl-amine; omega-Aminotoluene; phenylmethanamine; (Aminomethyl)benzene; (Phenylmethyl)amine; .alpha.-Aminotoluene; .omega.-Aminotoluene; 1-phenylmethanamine; 100-46-9; 1utj; 1utn; 2bza; A1O31ROR09; AI3-15299; BRN 0741984; CHEBI:40538; CHEMBL522; EINECS 202-854-1; HSDB 2795; MFCD00008106; NSC 8046; UNII-A1O31ROR09; a-Aminotoluene; alpha-Aminotoluene
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 107.15
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C7H9N
IUPAC Name
phenylmethanamine
Canonical SMILES
C1=CC=C(C=C1)CN
InChI
InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-5H,6,8H2
InChIKey
WGQKYBSKWIADBV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
7504
ChEBI ID
CHEMBL522
CAS Number
100-46-9
UNII
A1O31ROR09
DrugBank ID
DB02464
INTEDE ID
DR1959
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Monoamine oxidase type A (MAO-A) DERE4TU AOFA_HUMAN Substrate [1]
Copper amine oxidase (AOC3) DE6SOC5 AOC3_HUMAN Substrate [2]
Semicarbazide-sensitive amine oxidase (AOC2) DE8DP90 AOC2_HUMAN Substrate [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Do monomeric vs dimeric forms of MAO-A make a difference? A direct comparison of the catalytic properties of rat and human MAO-A's. J Neural Transm (Vienna). 2007;114(6):721-4.
2 The unique substrate specificity of human AOC2, a semicarbazide-sensitive amine oxidase. Cell Mol Life Sci. 2009 Aug;66(16):2743-57.